SCHEMBL436846

SCHEMBL436846

CC(C)C(C)c1ccc(Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.56
TSHR P16473 2/20 0.46
MAPK1 P28482 2/20 0.46
HIF1A Q16665 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
FFAR2 O15552 2/20 0.45
LMNA P02545 2/20 0.44
CYP2A6 P11509 1/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
AOC3 Q16853 2/20 0.42
BRD4 O60885 1/20 0.41
CYP19A1 P11511 4/20 0.41
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 0.41
SLC6A2 P23975 3/20 0.39
SLC6A3 Q01959 3/20 0.39
SLC6A4 P31645 2/20 0.39
PRCP P42785 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19577176 1.00 ADRB2 (0.56) ADRB2TSHRMAPK1HIF1ATDP1
SCHEMBL16687360 1.00 ADRB2 (0.56) ADRB2TSHRMAPK1HIF1ATDP1
SCHEMBL19865621 0.93 ADRB2 (0.50) ADRB2TSHRMAPK1HIF1ATDP1
SCHEMBL11949354 0.88 ADRB2 (0.62) ADRB2TSHRMAPK1HIF1ATDP1
SCHEMBL24175877 0.84 ADRB2 (0.52) ADRB2TSHRMAPK1HIF1ATDP1
SCHEMBL11993912 0.83 ALDH1A1 (0.61) ADRB2MAPK1LMNAHPGD
SCHEMBL11993889 0.83 MAPK1 (0.53) ADRB2TSHRMAPK1TDP1FFAR2
SCHEMBL17748822 0.82 TYR (0.46) ADRB2MAPK1HIF1ALMNATP53
SCHEMBL197810 0.79 ADRB2 (0.65) ADRB2TSHRMAPK1HIF1ATDP1
SCHEMBL683625 0.78 TSHR (0.59) ADRB2TSHRMAPK1HIF1ATDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 64 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230303562-A1 PYRAZOLE COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2023-09-28 US disclosed
US-20230303562-A1 PYRAZOLE COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2023-09-28 US disclosed
WO-2023094830-A1 SULFONAMIDE COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL CONDITIONS LARIO THERAPEUTICS LIMITED (GB) 2023-06-01 WO disclosed
WO-2023086800-A1 HETEROCYCLIC COMPOUNDS AS TRIGGERING RECEPTOR EXPRESSED ON MYELOID CELLS 2 AGONISTS AND METHODS OF USE VIGIL NEUROSCIENCE, INC. (US) 2023-05-19 WO disclosed
WO-2023086799-A1 HETEROCYCLIC COMPOUNDS AS TRIGGERING RECEPTOR EXPRESSED ON MYELOID CELLS 2 AGONISTS VIGIL NEUROSCIENCE, INC. (US) 2023-05-19 WO disclosed
US-11623930-B2 Imidazodiazepinediones and methods of use thereof GOLDFINCH BIO, INC. (US) 2023-04-11 US disclosed
US-20230043159-A1 MATRIPTASE 2 INHIBITORS AND USES THEREOF DISC MEDICINE, INC. 2023-02-09 US disclosed
US-11377422-B2 Charged ion channel blockers and methods for use Nocion Therapeutics, Inc. (US) 2022-07-05 US disclosed
US-20220204539-A1 CD73 INHIBITORS BIOARDIS LLC 2022-06-30 US disclosed
US-11192867-B2 Microbiocidal oxadiazole derivatives SYNGENTA PARTICIPATIONS AG (CH) 2021-12-07 US disclosed
US-20070161685-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-07-12 US disclosed
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US disclosed
WO-2007019251-A9 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE APOGEE BIOTECHNOLOGY CORP (US) 2007-04-19 WO disclosed
US-20070054919-A1 Pyrazinyl substituted piperazine-piperidines with CXCR3 antagonist activity SCHERING CORPORATION 2007-03-08 US disclosed
WO-2007019251-A2 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE APOGEE BIOTECHNOLOGY CORPORATION (US) 2007-02-15 WO disclosed
US-20070021611-A1 Pyridyl and phenyl substituted piperazine-piperidines with CXCR3 antagonist activity SCHERING CORPORATION 2007-01-25 US disclosed
US-20070021611-A1 Pyridyl and phenyl substituted piperazine-piperidines with CXCR3 antagonist activity SCHERING CORPORATION 2007-01-25 US disclosed
WO-2007006546-A1 AMIDE DERIVATIVES AS KINASE INHIBITORS DEVGEN N.V. (BE) 2007-01-18 WO disclosed
CN-1639114-A Malononitrile compounds and their use as pesticides SUMITOMO CHEMICAL CO (JP) 2005-07-13 CN disclosed
CN-1524071-A Malononitrile compounds and their use as pesticides ס�ѻ�ѧ��ҵ��ʽ���� 2004-08-25 CN disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230303562-A1 PYRAZOLE COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF CYP51A1, CYP4F11, WEE1 ADRB2 2931/4885TSHR 4245/4885MAPK1 1721/4885
US-20070161685-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 ADRB2 2047/4885TSHR 2250/4885MAPK1 3848/4885
US-20070054919-A1 Pyrazinyl substituted piperazine-piperidines with CXCR3 antagonist activity CXCR3, CXCR1, CCR5 ADRB2 508/4885TSHR 949/4885MAPK1 1198/4885
US-11623930-B2 Imidazodiazepinediones and methods of use thereof REN, ATP6V1B1, GLS ADRB2 8/4885TSHR 2307/4885MAPK1 3713/4885
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 ADRB2 2047/4885TSHR 2250/4885MAPK1 3848/4885
US-11192867-B2 Microbiocidal oxadiazole derivatives PRF1, NOX1, ARG2 ADRB2 1905/4885TSHR 2976/4885MAPK1 2892/4885
US-11377422-B2 Charged ion channel blockers and methods for use TRPV1, TRPV2, TRPV5 ADRB2 265/4885TSHR 4055/4885MAPK1 1952/4885
US-20070021611-A1 Pyridyl and phenyl substituted piperazine-piperidines with CXCR3 antagonist activity CXCR3, CCR1, CCR5 ADRB2 592/4885TSHR 1043/4885MAPK1 1118/4885
US-20220204539-A1 CD73 INHIBITORS ENTPD5, ENTPD1, ENTPD2 ADRB2 3616/4885TSHR 1674/4885MAPK1 4207/4885
US-20230043159-A1 MATRIPTASE 2 INHIBITORS AND USES THEREOF MMP7, MATR3, SPINT2 ADRB2 4409/4885TSHR 4421/4885MAPK1 2988/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.